N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide

C25H32N2O3 — CID 55979610

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C25H32N2O3/c1-29-23-10-6-5-7-20(23)19-27-15-11-22(12-16-27)26-24(28)25(13-17-30-18-14-25)21-8-3-2-4-9-21/h2-10,22H,11-19H2,1H3,(H,26,28)
InChIKeySXLRIPUNZPRYHC-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.52
Rot. Bonds6

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide (PubChem CID 55979610) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
PubChem CID55979610
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1
InChIInChI=1S/C25H32N2O3/c1-29-23-10-6-5-7-20(23)19-27-15-11-22(12-16-27)26-24(28)25(13-17-30-18-14-25)21-8-3-2-4-9-21/h2-10,22H,11-19H2,1H3,(H,26,28)
InChIKeySXLRIPUNZPRYHC-UHFFFAOYSA-N
XLogP3.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 112822610
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 112822226
4-(aminomethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]oxane-4-carboxamide;hydrochloride
CID 120929646
1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
CID 46963470
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide (CID 55979610) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide is COc1ccccc1CN1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide?
The InChIKey is SXLRIPUNZPRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-29-23-10-6-5-7-20(23)19-27-15-11-22(12-16-27)26-24(28)25(13-17-30-18-14-25)21-8-3-2-4-9-21/h2-10,22H,11-19H2,1H3,(H,26,28).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 55979610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).